# generated using pymatgen
data_Sc2BiI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.22808320
_cell_length_b   11.22808322
_cell_length_c   11.22808394
_cell_angle_alpha   21.54679261
_cell_angle_beta   21.54679088
_cell_angle_gamma   21.54679438
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2BiI2
_chemical_formula_sum   'Sc2 Bi1 I2'
_cell_volume   167.29521146
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sc  Sc0  1  0.61618881  0.61618881  0.61618881  1.0
  Sc  Sc1  1  0.38381119  0.38381219  0.38381119  1.0
  Bi  Bi2  1  0.00000000  0.00000000  0.00000000  1.0
  I  I3  1  0.22771981  0.22771981  0.22771981  1.0
  I  I4  1  0.77228019  0.77228019  0.77228019  1.0